2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide

C20H14F6N2OS — CID 55794716

IUPAC2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H14F6N2OS/c21-19(22,23)14-8-6-13(7-9-14)18-27-15(11-30-18)10-16(29)28-17(20(24,25)26)12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H,28,29)
InChIKeyKTNGAKWCIZKTIO-UHFFFAOYSA-N
MW444.40 g/mol
LogP5.79
Rot. Bonds5

About 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide

2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide (PubChem CID 55794716) has the molecular formula C20H14F6N2OS and a molecular weight of 444.40 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
PubChem CID55794716
Molecular FormulaC20H14F6N2OS
Molecular Weight444.40 g/mol
Exact Mass444.07
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H14F6N2OS/c21-19(22,23)14-8-6-13(7-9-14)18-27-15(11-30-18)10-16(29)28-17(20(24,25)26)12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H,28,29)
InChIKeyKTNGAKWCIZKTIO-UHFFFAOYSA-N
XLogP5.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.40
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
(2R)-3-methyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 142371255
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46514403
N-(2-iodophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701324
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
(2R)-2-phenyl-2-[[2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29134792
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55973944
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31762041

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide (CID 55794716) is 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide is O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide?
The InChIKey is KTNGAKWCIZKTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2OS/c21-19(22,23)14-8-6-13(7-9-14)18-27-15(11-30-18)10-16(29)28-17(20(24,25)26)12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H,28,29).
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide?
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide has a molecular weight of 444.40 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide is sourced from PubChem (CID 55794716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).